Crystallography Open Database

Information card for entry 8103071

Preview

Coordinates	8103071.cif

Structure parameters

Chemical name	2,2'-(1,2-propanediyl)bis(1H-benzimidazole) (2,3-dihydroxybutanedioic acid)Zinc(II), C~19~H~15.47~N~4~O~3~Zn
Formula	C19 H16 N4 O3 Zn
Calculated formula	C19 H16 N4 O3 Zn
Title of publication	Crystal structure of catena-[(5-sulfosalicylato-?2O,O')bis(?2-4-thiolatopyridinium-?2S:S)cadmium(II)] hydrate, Cd(C7H4O6S)(C5H5NS)2 · 2.5H2O
Authors of publication	Jun-Xia Li; Zhong-Xiang Du
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	3
Pages of publication	331
a	9.501 ± 0.005 Å
b	18.589 ± 0.005 Å
c	10.296 ± 0.005 Å
α	90 ± 0.005°
β	96.572 ± 0.005°
γ	90 ± 0.005°
Cell volume	1806.5 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0687
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103071.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103071.cif
28970	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103071 via cif-deposit CGI script.	8103071.cif